2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol

C12H20N2O6 — CID 70156363

IUPAC2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol
SMILESCC(CO)OC(O)c1cncc(C(O)OC(C)CO)n1
InChIInChI=1S/C12H20N2O6/c1-7(5-15)19-11(17)9-3-13-4-10(14-9)12(18)20-8(2)6-16/h3-4,7-8,11-12,15-18H,5-6H2,1-2H3
InChIKeyKNBPTKJQJQQYSC-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.75
Rot. Bonds8

About 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol

2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol (PubChem CID 70156363) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol.

Molecular Properties

Compound Name2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol
PubChem CID70156363
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol
SMILESCC(CO)OC(O)c1cncc(C(O)OC(C)CO)n1
InChIInChI=1S/C12H20N2O6/c1-7(5-15)19-11(17)9-3-13-4-10(14-9)12(18)20-8(2)6-16/h3-4,7-8,11-12,15-18H,5-6H2,1-2H3
InChIKeyKNBPTKJQJQQYSC-UHFFFAOYSA-N
XLogP-0.75
TPSA125.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol?
The IUPAC name of 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol (CID 70156363) is 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol.
What is the SMILES notation for 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol?
The canonical SMILES for 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol is CC(CO)OC(O)c1cncc(C(O)OC(C)CO)n1.
What is the InChIKey of 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol?
The InChIKey is KNBPTKJQJQQYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-7(5-15)19-11(17)9-3-13-4-10(14-9)12(18)20-8(2)6-16/h3-4,7-8,11-12,15-18H,5-6H2,1-2H3.
What are the key properties of 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol?
2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol has a molecular weight of 288.30 g/mol, XLogP of -0.75, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol is sourced from PubChem (CID 70156363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).